1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine

C10H15FN4 — CID 104606421

IUPAC1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4/c1-7(12)8-2-3-15(6-8)10-13-4-9(11)5-14-10/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyYWDYHYSHHSWLNT-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.79
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 104606421) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
PubChem CID104606421
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4/c1-7(12)8-2-3-15(6-8)10-13-4-9(11)5-14-10/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyYWDYHYSHHSWLNT-UHFFFAOYSA-N
XLogP0.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 106553653
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
1-[1-(3-methylpyrazin-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976639
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 104606397
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616
1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
CID 114273480

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine (CID 104606421) is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is YWDYHYSHHSWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-7(12)8-2-3-15(6-8)10-13-4-9(11)5-14-10/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 210.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 104606421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).